tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

C97H128Cl2F4N30O18 — CID 158922609

About tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (PubChem CID 158922609) has the molecular formula C97H128Cl2F4N30O18 and a molecular weight of 2149.18 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• PubChem CID: 158922609
• Molecular Formula: C97H128Cl2F4N30O18
• Molecular Weight: 2149.18 g/mol
• Exact Mass: 2146.93
• IUPAC Name: tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• SMILES: CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.N[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C27H35FN8O5.C22H27FN8O3.C21H28ClFN6O4.C18H24ClN5O5.C6H8N2O.C3H6FN/c1-27(2,3)41-26(38)35(9-8-34-10-12-40-13-11-34)22-15-21(31-19-6-5-7-29-25(19)39-4)33-23-17(16-30-36(22)23)24(37)32-20-14-18(20)28;1-33-22-16(3-2-4-25-22)27-18-12-19(24-5-6-30-7-9-34-10-8-30)31-20(29-18)14(13-26-31)21(32)28-17-11-15(17)23;1-21(2,3)33-20(31)28(5-4-27-6-8-32-9-7-27)17-11-16(22)26-18-13(12-24-29(17)18)19(30)25-15-10-14(15)23;1-18(2,3)29-17(27)23(5-4-22-6-8-28-9-7-22)14-10-13(19)21-15-12(16(25)26)11-20-24(14)15;1-9-6-5(7)3-2-4-8-6;4-2-1-3(2)5/h5-7,15-16,18,20H,8-14H2,1-4H3,(H,31,33)(H,32,37);2-4,12-13,15,17,24H,5-11H2,1H3,(H,27,29)(H,28,32);11-12,14-15H,4-10H2,1-3H3,(H,25,30);10-11H,4-9H2,1-3H3,(H,25,26);2-4H,7H2,1H3;2-3H,1,5H2/t18-,20+;15-,17+;14-,15+;;;2-,3+/m000..0/s1
• InChIKey: JIAJKYSIYHLKQS-CNKRENIASA-N
• XLogP: 9.43
• TPSA: 538.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.18
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The IUPAC name of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (CID 158922609) is tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

What is the SMILES notation for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The canonical SMILES for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.N[C@@H]1C[C@@H]1F.

What is the InChIKey of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The InChIKey is JIAJKYSIYHLKQS-CNKRENIASA-N. The full InChI is InChI=1S/C27H35FN8O5.C22H27FN8O3.C21H28ClFN6O4.C18H24ClN5O5.C6H8N2O.C3H6FN/c1-27(2,3)41-26(38)35(9-8-34-10-12-40-13-11-34)22-15-21(31-19-6-5-7-29-25(19)39-4)33-23-17(16-30-36(22)23)24(37)32-20-14-18(20)28;1-33-22-16(3-2-4-25-22)27-18-12-19(24-5-6-30-7-9-34-10-8-30)31-20(29-18)14(13-26-31)21(32)28-17-11-15(17)23;1-21(2,3)33-20(31)28(5-4-27-6-8-32-9-7-27)17-11-16(22)26-18-13(12-24-29(17)18)19(30)25-15-10-14(15)23;1-18(2,3)29-17(27)23(5-4-22-6-8-28-9-7-22)14-10-13(19)21-15-12(16(25)26)11-20-24(14)15;1-9-6-5(7)3-2-4-8-6;4-2-1-3(2)5/h5-7,15-16,18,20H,8-14H2,1-4H3,(H,31,33)(H,32,37);2-4,12-13,15,17,24H,5-11H2,1H3,(H,27,29)(H,28,32);11-12,14-15H,4-10H2,1-3H3,(H,25,30);10-11H,4-9H2,1-3H3,(H,25,26);2-4H,7H2,1H3;2-3H,1,5H2/t18-,20+;15-,17+;14-,15+;;;2-,3+/m000..0/s1.

What are the key properties of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine has a molecular weight of 2149.18 g/mol, XLogP of 9.43, 30 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is sourced from PubChem (CID 158922609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).